4-({[(2-Chloro-4-nitrophenyl)methyl]carbamoyl}amino)-3-methylbenzene-1-sulfonyl fluoride
Basic information
- CAS
21322-85-0- Standard SMILES
Cc1cc(S(=O)(=O)F)ccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl- InChIKey
VZBLOVPVTCGYIS-UHFFFAOYSA-N- Molecular formula
- C15H13ClFN3O5S
- Average molar mass
- 401.8 g/mol
- Monoisotopic mass
- 401.0248476
Names & identifiers
- Preferred name
- 4-({[(2-Chloro-4-nitrophenyl)methyl]carbamoyl}amino)-3-methylbenzene-1-sulfonyl fluoride
- IUPAC
- 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylbenzenesulfonyl fluoride
Names & synonyms
21322-85-0NSC211114DTXSID10309096NSC-2111144-({[(2-Chloro-4-nitrophenyl)methyl]carbamoyl}amino)-3-methylbenzene-1-sulfonyl fluoride
Database identifiers
- CAS
21322-85-0- PubChem CID
- 308980
- DTXSID
DTXSID10309096
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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